2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone

C18H16F3NO — CID 42599029

IUPAC2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C[C@H]1CCc2ccccc2N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-6,8-9,15,22H,7,10-11H2/t15-/m1/s1
InChIKeyGFZSJAZPCOEFAQ-OAHLLOKOSA-N
MW319.33 g/mol
LogP4.71
Rot. Bonds3

About 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone

2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 42599029) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID42599029
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C[C@H]1CCc2ccccc2N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-6,8-9,15,22H,7,10-11H2/t15-/m1/s1
InChIKeyGFZSJAZPCOEFAQ-OAHLLOKOSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone (CID 42599029) is 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone is O=C(C[C@H]1CCc2ccccc2N1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is GFZSJAZPCOEFAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-6,8-9,15,22H,7,10-11H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone?
2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 42599029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).